SCHEMBL16132008

SCHEMBL16132008

Cc1ccc(N(C)CCCN(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.35
▸ PIM2 Q9P1W9 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CTH P32929 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13279964 0.80 HRH3 (0.41) HRH3PIM2CDK4CDK6KMT2A
SCHEMBL13466379 0.77 HRH3 (0.33) HRH3PIM2CDK4CDK6POLB
SCHEMBL5067602 0.73 CYP1A2 (0.42) PIM2POLBKMT2AALDH1A1TSHR
SCHEMBL26733047 0.72 NOS3 (0.45) HRH3SIGMAR1
SCHEMBL2629425 0.71 RAB9A (0.48) POLBKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL13314027 0.69 POLB (0.39) POLBKMT2ASMN1; SMN2
SCHEMBL2256335 0.68 GBA1 (0.51) HRH3CYP2D6CYP2C19
SCHEMBL933782 0.68 HRH3 (0.37) HRH3PIM2CYP2D6CYP2C19ALDH1A1
SCHEMBL7245666 0.68 HRH3 (0.44) HRH3PIM2POLBALDH1A1KDM4E
SCHEMBL28745833 0.67 POLB (0.38) POLBKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 HRH3 4523/4885PIM2 559/4885CDK4 724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback